SCHEMBL764302

SCHEMBL764302

CNc1oc2c(c1C(=N)NCCc1ccc(NC(=O)Nc3ccccc3)cc1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 2/20 0.41
CNR1 P21554 4/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AURKA O14965 1/20 0.38
GHSR Q92847 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL763388 0.80 FPR2 (0.43) FPR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL764304 0.72 CXCR2 (0.46) FPR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL763384 0.71 CNR1 (0.46) FPR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL764012 0.71 AURKA (0.49) FPR2NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL763184 0.71 AURKA (0.52) FPR2NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL13399994 0.69 FPR2 (0.58) FPR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL763954 0.67 CNR1 (0.46) FPR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13576594 0.67 MAPT (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL763116 0.67 CNR1 (0.45) FPR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL759081 0.67 AURKA (0.58) AURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138194-B2 Fused bicyclic pyrimidine compounds as aurora kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-03-20 US disclosed
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS AURKB, AURKA, AURKC FPR2 3780/4885NPC1 1880/4885RAB9A 2363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.